Monocarboxylic acids and derivatives

Organic compounds that contain one carboxyl group; carboxyl groups consist of a carbonyl group bonded to a hydroxy group. Includes compounds that are derived from monocarboxylic acids.

166 – 180 of 2,375 results

166

Indoxyl acetate, 97%

CAS: 608-08-2 Molecular Formula: C₁₀H₉NO₂ Molecular Weight (g/mol): 175.19 MDL Number: MFCD00014561 InChI Key: JBOPQACSHPPKEP-UHFFFAOYSA-N Synonym: 3-acetoxyindole,indoxyl acetate,3-indoxyl acetate,indoxyl-o-acetate,3-indolyl acetate,indole, 3-acetato,indoxylacetate,1h-indol-3-ol, 3-acetate,1h-indol-3-ol, acetate ester,acetic acid, 3-indolyl ester PubChem CID: 11841 IUPAC Name: 1H-indol-3-yl acetate SMILES: CC(=O)OC1=CNC2=CC=CC=C21

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Specifications

PubChem CID	11841
CAS	608-08-2
Molecular Weight (g/mol)	175.19
MDL Number	MFCD00014561
SMILES	CC(=O)OC1=CNC2=CC=CC=C21
Synonym	3-acetoxyindole,indoxyl acetate,3-indoxyl acetate,indoxyl-o-acetate,3-indolyl acetate,indole, 3-acetato,indoxylacetate,1h-indol-3-ol, 3-acetate,1h-indol-3-ol, acetate ester,acetic acid, 3-indolyl ester
IUPAC Name	1H-indol-3-yl acetate
InChI Key	JBOPQACSHPPKEP-UHFFFAOYSA-N
Molecular Formula	C₁₀H₉NO₂

167

Cyclohexanecarboxylic acid, 98%

CAS: 98-89-5 Molecular Formula: C₇H₁₂O₂ Molecular Weight (g/mol): 128.17 MDL Number: MFCD00001461 InChI Key: NZNMSOFKMUBTKW-UHFFFAOYSA-N Synonym: hexahydrobenzoic acid,carboxycyclohexane,cyclohexanoic acid,cyclohexylcarboxylic acid,cyclohexylmethanoic acid,cyclohexylformic acid,benzoic acid, hexahydro,cyclohexancarbonsaeure,cyclohexane-1-carboxylate,cyclohexanecarboxylicacid PubChem CID: 7413 ChEBI: CHEBI:36096 IUPAC Name: cyclohexanecarboxylic acid SMILES: C1CCC(CC1)C(=O)O

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Specifications

PubChem CID	7413
CAS	98-89-5
Molecular Weight (g/mol)	128.17
ChEBI	CHEBI:36096
MDL Number	MFCD00001461
SMILES	C1CCC(CC1)C(=O)O
Synonym	hexahydrobenzoic acid,carboxycyclohexane,cyclohexanoic acid,cyclohexylcarboxylic acid,cyclohexylmethanoic acid,cyclohexylformic acid,benzoic acid, hexahydro,cyclohexancarbonsaeure,cyclohexane-1-carboxylate,cyclohexanecarboxylicacid
IUPAC Name	cyclohexanecarboxylic acid
InChI Key	NZNMSOFKMUBTKW-UHFFFAOYSA-N
Molecular Formula	C₇H₁₂O₂

168

Ethyl isobutyrate, 99%

CAS: 97-62-1 Molecular Formula: C₆H₁₂O₂ Molecular Weight (g/mol): 116.18 MDL Number: MFCD00009165 InChI Key: WDAXFOBOLVPGLV-UHFFFAOYSA-N Synonym: ethyl isobutyrate,ethyl isobutanoate,ethylisobutyrate,isobutyric acid ethyl ester,ethyl 2,2-dimethylacetate,propanoic acid, 2-methyl-, ethyl ester,isobutyric acid, ethyl ester,ethyl 2-methylpropionate,propionic acid, 2-methyl-, ethyl ester,ethyl isobutyrate natural PubChem CID: 7342 ChEBI: CHEBI:87303 IUPAC Name: ethyl 2-methylpropanoate SMILES: CCOC(=O)C(C)C

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Specifications

PubChem CID	7342
CAS	97-62-1
Molecular Weight (g/mol)	116.18
ChEBI	CHEBI:87303
MDL Number	MFCD00009165
SMILES	CCOC(=O)C(C)C
Synonym	ethyl isobutyrate,ethyl isobutanoate,ethylisobutyrate,isobutyric acid ethyl ester,ethyl 2,2-dimethylacetate,propanoic acid, 2-methyl-, ethyl ester,isobutyric acid, ethyl ester,ethyl 2-methylpropionate,propionic acid, 2-methyl-, ethyl ester,ethyl isobutyrate natural
IUPAC Name	ethyl 2-methylpropanoate
InChI Key	WDAXFOBOLVPGLV-UHFFFAOYSA-N
Molecular Formula	C₆H₁₂O₂

169

Ethyl cyanoformate, 99%

CAS: 623-49-4 Molecular Formula: C4H5NO2 Molecular Weight (g/mol): 99.09 MDL Number: MFCD00001836 InChI Key: MSMGXWFHBSCQFB-UHFFFAOYSA-N Synonym: carbonocyanidic acid, ethyl ester,ethyl carbonocyanidate,2-ethoxy-2-oxoacetonitrile,cyanoformic acid ethyl ester,ethyl carbonocyanidoate,formic acid, cyano-, ethyl ester,cyanocarbonyloxyethane,ethylcyanidocarbonat,ethyl cyanoformate,ethyl cyanocarbonate PubChem CID: 69336 IUPAC Name: ethyl cyanoformate SMILES: CCOC(=O)C#N

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Specifications

PubChem CID	69336
CAS	623-49-4
Molecular Weight (g/mol)	99.09
MDL Number	MFCD00001836
SMILES	CCOC(=O)C#N
Synonym	carbonocyanidic acid, ethyl ester,ethyl carbonocyanidate,2-ethoxy-2-oxoacetonitrile,cyanoformic acid ethyl ester,ethyl carbonocyanidoate,formic acid, cyano-, ethyl ester,cyanocarbonyloxyethane,ethylcyanidocarbonat,ethyl cyanoformate,ethyl cyanocarbonate
IUPAC Name	ethyl cyanoformate
InChI Key	MSMGXWFHBSCQFB-UHFFFAOYSA-N
Molecular Formula	C4H5NO2

170

Isopropyl Acetate, Puriss p.a., ≥99.5% (GC), Honeywell Riedel-de Haën™

CAS: 108-21-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00008877 InChI Key: JMMWKPVZQRWMSS-UHFFFAOYSA-N Synonym: isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester PubChem CID: 7915 IUPAC Name: propan-2-yl acetate SMILES: CC(C)OC(=O)C

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Specifications

PubChem CID	7915
CAS	108-21-4
Molecular Weight (g/mol)	102.133
MDL Number	MFCD00008877
SMILES	CC(C)OC(=O)C
Synonym	isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester
IUPAC Name	propan-2-yl acetate
InChI Key	JMMWKPVZQRWMSS-UHFFFAOYSA-N
Molecular Formula	C5H10O2

171

3-Pyridinepropionic acid, 97%

CAS: 3724-19-4 Molecular Formula: C₈H₉NO₂ Molecular Weight (g/mol): 151.16 MDL Number: MFCD00274197 InChI Key: WDGXIUUWINKTGP-UHFFFAOYSA-N Synonym: 3-3-pyridyl propionic acid,3-pyridinepropionic acid,3-pyridinepropanoic acid,3-pyridin-3-yl propanoic acid,3-3-pyridyl propionicacid,pyridine-3-propionic acid,3-3-pyridyl propanoic acid,3-pyridin-3-yl propionic acid,pubchem8701,maybridge4_001332 PubChem CID: 259624 IUPAC Name: 3-pyridin-3-ylpropanoic acid SMILES: C1=CC(=CN=C1)CCC(=O)O

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Specifications

PubChem CID	259624
CAS	3724-19-4
Molecular Weight (g/mol)	151.16
MDL Number	MFCD00274197
SMILES	C1=CC(=CN=C1)CCC(=O)O
Synonym	3-3-pyridyl propionic acid,3-pyridinepropionic acid,3-pyridinepropanoic acid,3-pyridin-3-yl propanoic acid,3-3-pyridyl propionicacid,pyridine-3-propionic acid,3-3-pyridyl propanoic acid,3-pyridin-3-yl propionic acid,pubchem8701,maybridge4_001332
IUPAC Name	3-pyridin-3-ylpropanoic acid
InChI Key	WDGXIUUWINKTGP-UHFFFAOYSA-N
Molecular Formula	C₈H₉NO₂

172

Benzyl cyanoacetate, 97%

CAS: 14447-18-8 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00051719 InChI Key: RCUIWQWWDLZNMS-UHFFFAOYSA-N Synonym: benzyl cyanoacetate,acetic acid, cyano-, phenylmethyl ester,cyanoacetic acid benzyl ester,benzyl-cyanoacetate,acetic acid, cyano-, benzyl ester,acmc-20alph,phenylmethyl 2-cyanoacetate,cyano-acetic acid benzyl ester,benzyl ester of cyanoacetic acid PubChem CID: 560818 IUPAC Name: benzyl 2-cyanoacetate SMILES: O=C(CC#N)OCC1=CC=CC=C1

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Specifications

PubChem CID	560818
CAS	14447-18-8
Molecular Weight (g/mol)	175.19
MDL Number	MFCD00051719
SMILES	O=C(CC#N)OCC1=CC=CC=C1
Synonym	benzyl cyanoacetate,acetic acid, cyano-, phenylmethyl ester,cyanoacetic acid benzyl ester,benzyl-cyanoacetate,acetic acid, cyano-, benzyl ester,acmc-20alph,phenylmethyl 2-cyanoacetate,cyano-acetic acid benzyl ester,benzyl ester of cyanoacetic acid
IUPAC Name	benzyl 2-cyanoacetate
InChI Key	RCUIWQWWDLZNMS-UHFFFAOYSA-N
Molecular Formula	C10H9NO2

173

Ethyl 5,5-dimethyl-2,4-dioxohexanoate, 97%, Thermo Scientific™

CAS: 13395-36-3 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.234 InChI Key: NIMKIMUBJFWPTD-UHFFFAOYSA-N Synonym: ethyl trimethylacetopyruvate,hexanoic acid, 5,5-dimethyl-2,4-dioxo-, ethyl ester,5,5-dimethyl-2,4-dioxo-hexanoic acid ethyl ester,5,5-dimethyl-2,4-dioxohexanoic acid ethyl ester,ethyl pivaloylpyruvate,pivaloylpyruvic acid ethyl ester,3-pivaloylpyruvic acid ethyl ester,ethyl5,5-dimethyl-2,4-dioxohexanoate,trimethylacetopyruvic acid ethyl ester,ethyl 5,5-dimethyl-2,4-dioxo-hexanoate PubChem CID: 83403 IUPAC Name: ethyl 5,5-dimethyl-2,4-dioxohexanoate SMILES: CCOC(=O)C(=O)CC(=O)C(C)(C)C

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Specifications

PubChem CID	83403
CAS	13395-36-3
Molecular Weight (g/mol)	200.234
SMILES	CCOC(=O)C(=O)CC(=O)C(C)(C)C
Synonym	ethyl trimethylacetopyruvate,hexanoic acid, 5,5-dimethyl-2,4-dioxo-, ethyl ester,5,5-dimethyl-2,4-dioxo-hexanoic acid ethyl ester,5,5-dimethyl-2,4-dioxohexanoic acid ethyl ester,ethyl pivaloylpyruvate,pivaloylpyruvic acid ethyl ester,3-pivaloylpyruvic acid ethyl ester,ethyl5,5-dimethyl-2,4-dioxohexanoate,trimethylacetopyruvic acid ethyl ester,ethyl 5,5-dimethyl-2,4-dioxo-hexanoate
IUPAC Name	ethyl 5,5-dimethyl-2,4-dioxohexanoate
InChI Key	NIMKIMUBJFWPTD-UHFFFAOYSA-N
Molecular Formula	C10H16O4

174

1-Phenyl-1H-pyrazole-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 1133-77-3 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.19 MDL Number: MFCD00463580 InChI Key: FLYDUXCFCARXHI-UHFFFAOYSA-N Synonym: 1-phenyl-1h-pyrazole-5-carboxylic acid,2-phenyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1-phenyl,1-phenylpyrazole-5-carboxylic acid,1-phenyl-1h-pyrazole-5-carboxylicacid,1h-pyrazole-5-carboxylicacid, 1-phenyl,5-carboxy-1h-pyrazol-1-yl benzene PubChem CID: 237056 IUPAC Name: 2-phenylpyrazole-3-carboxylic acid SMILES: OC(=O)C1=CC=NN1C1=CC=CC=C1

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Specifications

PubChem CID	237056
CAS	1133-77-3
Molecular Weight (g/mol)	188.19
MDL Number	MFCD00463580
SMILES	OC(=O)C1=CC=NN1C1=CC=CC=C1
Synonym	1-phenyl-1h-pyrazole-5-carboxylic acid,2-phenyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1-phenyl,1-phenylpyrazole-5-carboxylic acid,1-phenyl-1h-pyrazole-5-carboxylicacid,1h-pyrazole-5-carboxylicacid, 1-phenyl,5-carboxy-1h-pyrazol-1-yl benzene
IUPAC Name	2-phenylpyrazole-3-carboxylic acid
InChI Key	FLYDUXCFCARXHI-UHFFFAOYSA-N
Molecular Formula	C10H8N2O2

175

Ethyl indole-2-carboxylate, 97%

CAS: 3770-50-1 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.21 MDL Number: MFCD00005609 InChI Key: QQXQAEWRSVZPJM-UHFFFAOYSA-N Synonym: ethyl indole-2-carboxylate,indole-2-carboxylic acid ethyl ester,2-carbethoxyindole,1h-indole-2-carboxylic acid, ethyl ester,indole-2-carboxylic acid, ethyl ester,1h-indole-2-carboxylic acid ethyl ester,ethylindole-2-carboxylate,ethyl 2-indolecarboxylate,1h-indole-2-carboxylic acid,ethyl ester,2-carboethoxyindole PubChem CID: 73125 IUPAC Name: ethyl 1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=CC=CC=C2N1

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Specifications

PubChem CID	73125
CAS	3770-50-1
Molecular Weight (g/mol)	189.21
MDL Number	MFCD00005609
SMILES	CCOC(=O)C1=CC2=CC=CC=C2N1
Synonym	ethyl indole-2-carboxylate,indole-2-carboxylic acid ethyl ester,2-carbethoxyindole,1h-indole-2-carboxylic acid, ethyl ester,indole-2-carboxylic acid, ethyl ester,1h-indole-2-carboxylic acid ethyl ester,ethylindole-2-carboxylate,ethyl 2-indolecarboxylate,1h-indole-2-carboxylic acid,ethyl ester,2-carboethoxyindole
IUPAC Name	ethyl 1H-indole-2-carboxylate
InChI Key	QQXQAEWRSVZPJM-UHFFFAOYSA-N
Molecular Formula	C11H11NO2

176

1H-indazole-3-carboxylic acid, Thermo Scientific™

CAS: 4498-67-3 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 InChI Key: BHXVYTQDWMQVBI-UHFFFAOYSA-N Synonym: indazole-3-carboxylic acid,3-carboxyindazole,3-indazolecarboxylic acid,indazole-3-carboxylicacid,1h-indazol-3-carbonic acid,2h-indazole-3-carboxylic acid,3-carboxy-1h-indazole,1h-indazole-3-carbonic acid,1-h-indazole-3-carboxylic acid,benzopyrazole-3-carboxylic acid PubChem CID: 78250 IUPAC Name: 1H-indazole-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=NN2)C(=O)O

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Specifications

PubChem CID	78250
CAS	4498-67-3
Molecular Weight (g/mol)	162.148
SMILES	C1=CC=C2C(=C1)C(=NN2)C(=O)O
Synonym	indazole-3-carboxylic acid,3-carboxyindazole,3-indazolecarboxylic acid,indazole-3-carboxylicacid,1h-indazol-3-carbonic acid,2h-indazole-3-carboxylic acid,3-carboxy-1h-indazole,1h-indazole-3-carbonic acid,1-h-indazole-3-carboxylic acid,benzopyrazole-3-carboxylic acid
IUPAC Name	1H-indazole-3-carboxylic acid
InChI Key	BHXVYTQDWMQVBI-UHFFFAOYSA-N
Molecular Formula	C8H6N2O2

177

Isopropyl palmitate, tech. 85%

CAS: 142-91-6 Molecular Formula: C19H38O2 Molecular Weight (g/mol): 298.51 MDL Number: MFCD00008993 InChI Key: XUGNVMKQXJXZCD-UHFFFAOYSA-N Synonym: isopropyl palmitate,isopropyl hexadecanoate,isopalm,deltyl,isopal,propal,deltyl prime,tegester isopalm,ja-fa ippkessco,sinnoester pit PubChem CID: 8907 ChEBI: CHEBI:84262 IUPAC Name: propan-2-yl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OC(C)C

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Specifications

PubChem CID	8907
CAS	142-91-6
Molecular Weight (g/mol)	298.51
ChEBI	CHEBI:84262
MDL Number	MFCD00008993
SMILES	CCCCCCCCCCCCCCCC(=O)OC(C)C
Synonym	isopropyl palmitate,isopropyl hexadecanoate,isopalm,deltyl,isopal,propal,deltyl prime,tegester isopalm,ja-fa ippkessco,sinnoester pit
IUPAC Name	propan-2-yl hexadecanoate
InChI Key	XUGNVMKQXJXZCD-UHFFFAOYSA-N
Molecular Formula	C19H38O2

178

Cyclobutanecarboxylic acid, 98%

CAS: 3721-95-7 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00001323 InChI Key: TXWOGHSRPAYOML-UHFFFAOYSA-N Synonym: cyclobutylcarboxylic acid,cyclo-butyl formic acid,cyclobutane carboxylic acid,unii-0rdj7c51o0,pubchem14139,acmc-1cnqb,cyclobutan carboxylic acid,cyclobutyl carboxylic acid,cyclobutancecarboxylic acid,cyclobutane-carboxylic acid PubChem CID: 19494 IUPAC Name: cyclobutanecarboxylic acid SMILES: OC(=O)C1CCC1

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Specifications

PubChem CID	19494
CAS	3721-95-7
Molecular Weight (g/mol)	100.12
MDL Number	MFCD00001323
SMILES	OC(=O)C1CCC1
Synonym	cyclobutylcarboxylic acid,cyclo-butyl formic acid,cyclobutane carboxylic acid,unii-0rdj7c51o0,pubchem14139,acmc-1cnqb,cyclobutan carboxylic acid,cyclobutyl carboxylic acid,cyclobutancecarboxylic acid,cyclobutane-carboxylic acid
IUPAC Name	cyclobutanecarboxylic acid
InChI Key	TXWOGHSRPAYOML-UHFFFAOYSA-N
Molecular Formula	C5H8O2

179

Amyl Acetate, Mixed Isomers, BAKER ANALYZED™ Reagent, J.T. Baker™

CAS: 628-63-7 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 InChI Key: PGMYKACGEOXYJE-UHFFFAOYSA-N Synonym: amyl acetate,n-amyl acetate,acetic acid, pentyl ester,n-pentyl acetate,amyl acetic ester,1-pentyl acetate,n-pentyl ethanoate,birnenoel,pent-acetate,amyl acetic ether PubChem CID: 12348 ChEBI: CHEBI:87362 IUPAC Name: pentyl acetate SMILES: CCCCCOC(=O)C

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Specifications

PubChem CID	12348
CAS	628-63-7
Molecular Weight (g/mol)	130.187
ChEBI	CHEBI:87362
SMILES	CCCCCOC(=O)C
Synonym	amyl acetate,n-amyl acetate,acetic acid, pentyl ester,n-pentyl acetate,amyl acetic ester,1-pentyl acetate,n-pentyl ethanoate,birnenoel,pent-acetate,amyl acetic ether
IUPAC Name	pentyl acetate
InChI Key	PGMYKACGEOXYJE-UHFFFAOYSA-N
Molecular Formula	C7H14O2

180

Ethyl phenylcyanoacetate, 98%

CAS: 4553-07-5 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.21 MDL Number: MFCD00001866 InChI Key: SXIRJEDGTAKGKU-UHFFFAOYNA-N Synonym: ethyl phenylcyanoacetate,phenylcyanoacetic acid ethyl ester,ethyl cyanophenylacetate,ethyl cyano phenyl acetate,ethyl alpha-cyanophenylacetate,ethyl alpha-cyano-alpha-phenylacetate,acetic acid, cyanophenyl-, ethyl ester,alpha-cyanobenzeneacetic acid, ethyl ester,benzeneacetic acid, alpha-cyano-, ethyl ester,benzeneacetic acid, .alpha.-cyano-, ethyl ester PubChem CID: 95298 ChEBI: CHEBI:51926 IUPAC Name: ethyl 2-cyano-2-phenylacetate SMILES: CCOC(=O)C(C#N)C1=CC=CC=C1

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Specifications

PubChem CID	95298
CAS	4553-07-5
Molecular Weight (g/mol)	189.21
ChEBI	CHEBI:51926
MDL Number	MFCD00001866
SMILES	CCOC(=O)C(C#N)C1=CC=CC=C1
Synonym	ethyl phenylcyanoacetate,phenylcyanoacetic acid ethyl ester,ethyl cyanophenylacetate,ethyl cyano phenyl acetate,ethyl alpha-cyanophenylacetate,ethyl alpha-cyano-alpha-phenylacetate,acetic acid, cyanophenyl-, ethyl ester,alpha-cyanobenzeneacetic acid, ethyl ester,benzeneacetic acid, alpha-cyano-, ethyl ester,benzeneacetic acid, .alpha.-cyano-, ethyl ester
IUPAC Name	ethyl 2-cyano-2-phenylacetate
InChI Key	SXIRJEDGTAKGKU-UHFFFAOYNA-N
Molecular Formula	C11H11NO2

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Monocarboxylic acids and derivatives

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